# generated using pymatgen
data_VFe2H8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.87135886
_cell_length_b   10.86494179
_cell_length_c   10.93763551
_cell_angle_alpha   89.07250491
_cell_angle_beta   88.87478449
_cell_angle_gamma   63.75503097
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VFe2H8C14(NO)6
_chemical_formula_sum   'V2 Fe4 H16 C28 N12 O12'
_cell_volume   1158.47149668
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  V  V0  1  0.90731101  0.09288434  0.25006764  1
  V  V1  1  0.09269050  0.90711393  0.74993096  1
  Fe  Fe2  1  0.85506259  0.98705433  -0.00767765  1
  Fe  Fe3  1  0.01349567  0.14480748  0.50737535  1
  Fe  Fe4  1  0.14493846  0.01294490  1.00767670  1
  Fe  Fe5  1  0.98650076  0.85519659  0.49262387  1
  H  H6  1  0.53728912  0.17177902  0.41237554  1
  H  H7  1  0.82689020  0.46292044  0.08882151  1
  H  H8  1  0.46271434  0.82821328  0.58762684  1
  H  H9  1  0.17311459  0.53707903  0.91117552  1
  H  H10  1  0.33407496  0.15868453  0.51079197  1
  H  H11  1  0.83926613  0.66604614  0.98993880  1
  H  H12  1  0.66592532  0.84131281  0.48920920  1
  H  H13  1  0.16074280  0.33395131  0.01005820  1
  H  H14  1  0.42590578  0.07530773  0.06018546  1
  H  H15  1  0.92812265  0.57399738  0.43917157  1
  H  H16  1  0.57409724  0.92468651  0.93981601  1
  H  H17  1  0.07186816  0.42600754  0.56082864  1
  H  H18  1  0.88180524  0.21140247  0.03981298  1
  H  H19  1  0.78904259  0.11946381  0.46106364  1
  H  H20  1  0.11819378  0.78859784  0.96018534  1
  H  H21  1  0.21095312  0.88054156  0.53893531  1
  C  C22  1  0.62652845  0.11516215  0.17445973  1
  C  C23  1  0.88586379  0.37356833  0.32588656  1
  C  C24  1  0.37347279  0.88483449  0.82554264  1
  C  C25  1  0.11413350  0.62643438  0.67411182  1
  C  C26  1  0.49885316  0.11803441  0.23082270  1
  C  C27  1  0.88290493  0.50114476  0.26943641  1
  C  C28  1  0.50114844  0.88196108  0.76917893  1
  C  C29  1  0.11709373  0.49885717  0.73056223  1
  C  C30  1  0.46953597  0.14549997  0.35759832  1
  C  C31  1  0.85397188  0.53058027  0.14308879  1
  C  C32  1  0.53046555  0.85449515  0.64240346  1
  C  C33  1  0.14603108  0.46941971  0.85690874  1
  C  C34  1  0.35641502  0.13868333  0.41362461  1
  C  C35  1  0.86033899  0.64370273  0.08682390  1
  C  C36  1  0.64358551  0.86131398  0.58637658  1
  C  C37  1  0.13966646  0.35629623  0.91317408  1
  C  C38  1  0.27192712  0.10347206  0.34127650  1
  C  C39  1  0.89682685  0.72794350  0.15843966  1
  C  C40  1  0.72807223  0.89652755  0.65872417  1
  C  C41  1  0.10317616  0.27205604  0.84155932  1
  C  C42  1  0.29870702  0.07911358  0.21561713  1
  C  C43  1  0.92345140  0.70064465  0.28354999  1
  C  C44  1  0.70129312  0.92088480  0.78438356  1
  C  C45  1  0.07654680  0.29935765  0.71644994  1
  C  C46  1  0.40969751  0.08984968  0.15831612  1
  C  C47  1  0.91262898  0.58997360  0.34122799  1
  C  C48  1  0.59030422  0.91014635  0.84168549  1
  C  C49  1  0.08736606  0.41003017  0.65877161  1
  N  N50  1  0.16036633  0.07951989  0.36946147  1
  N  N51  1  0.91973426  0.84001418  0.12988098  1
  N  N52  1  0.83963101  0.92048278  0.63053829  1
  N  N53  1  0.08027045  0.15998450  0.87011792  1
  N  N54  1  0.11600909  0.04696863  0.26630462  1
  N  N55  1  0.95439590  0.88373458  0.23245608  1
  N  N56  1  0.88398989  0.95303224  0.73369536  1
  N  N57  1  0.04560495  0.11626619  0.76754315  1
  N  N58  1  0.20226732  0.04102384  0.17307668  1
  N  N59  1  0.96290005  0.79655971  0.32530505  1
  N  N60  1  0.79773200  0.95897679  0.82692341  1
  N  N61  1  0.03709642  0.20344293  0.67469581  1
  O  O62  1  0.92923341  0.11568685  0.06673341  1
  O  O63  1  0.88457541  0.07084318  0.43356703  1
  O  O64  1  0.07076547  0.88431263  0.93326577  1
  O  O65  1  0.11542141  0.92916215  0.56643246  1
  O  O66  1  0.70345651  0.14347758  0.24529278  1
  O  O67  1  0.85561514  0.29723361  0.25581783  1
  O  O68  1  0.29654129  0.85652500  0.75470904  1
  O  O69  1  0.14438231  0.70276884  0.74418045  1
  O  O70  1  0.65331839  0.08176950  0.06284934  1
  O  O71  1  0.92119937  0.34621479  0.43684739  1
  O  O72  1  0.34668581  0.91822307  0.93715400  1
  O  O73  1  0.07879664  0.65378865  0.56315173  1
